2026-04-04_00000070|ligand|9CXY

Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-1500; X-ray diffraction 1.03Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A5Z

InChI=1S/C17H19N7O2/c1-2-18-17(26)21-11-6-3-5-10-13-15(22-14(10)11)19-9-20-16(13)23-24-8-4-7-12(24)25/h3,5-6,9H,2,4,7-8H2,1H3,(H2,18,21,26)(H2,19,20,22,23)

CCNC(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4CCCC4=O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference